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Substance Name: 7-Dehydrositosterol
RN: 521-04-0
UNII: A6478ODO9X
InChIKey: ARVGMISWLZPBCH-XHVHEOSNSA-N

Molecular Formula

  • C29-H48-O

Molecular Weight

  • 412.6972
 
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Names and Synonyms

Name of Substance

  • 7-Dehydrositosterol

Synonyms

  • EINECS 208-300-5
  • UNII-A6478ODO9X

Systematic Name

  • Stigmasta-5,7-dien-3-beta-ol, not irradiated

Registry Numbers

CAS Registry Number

  • 521-04-0

FDA UNII

  • A6478ODO9X

System Generated Number

  • 0000521040

Structure Descriptors

InChI

1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1

InChIKey

ARVGMISWLZPBCH-XHVHEOSNSA-N

Smiles

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 144.5 deg C   EXP
log P (octanol-water) 9.560 (none)   EST
Atmospheric OH Rate Constant 3.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.